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/dports/math/stanmath/math-4.2.0/lib/sundials_5.7.0/src/sunmatrix/magmadense/
H A Dsunmatrix_magmadense.cpp84 SUNMatrix Amat; in SUNMatrix_MagmaDenseBlock() local
105 Amat = NULL; in SUNMatrix_MagmaDenseBlock()
106 Amat = SUNMatNewEmpty(); in SUNMatrix_MagmaDenseBlock()
127 Amat->content = A; in SUNMatrix_MagmaDenseBlock()
161 return(Amat); in SUNMatrix_MagmaDenseBlock()
357 Amat->content = NULL; in SUNMatDestroy_MagmaDense()
361 if (Amat->ops) in SUNMatDestroy_MagmaDense()
363 free(Amat->ops); in SUNMatDestroy_MagmaDense()
364 Amat->ops = NULL; in SUNMatDestroy_MagmaDense()
368 free(Amat); in SUNMatDestroy_MagmaDense()
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/dports/math/sundials/sundials-5.7.0/src/sunmatrix/magmadense/
H A Dsunmatrix_magmadense.cpp84 SUNMatrix Amat; in SUNMatrix_MagmaDenseBlock() local
105 Amat = NULL; in SUNMatrix_MagmaDenseBlock()
106 Amat = SUNMatNewEmpty(); in SUNMatrix_MagmaDenseBlock()
127 Amat->content = A; in SUNMatrix_MagmaDenseBlock()
161 return(Amat); in SUNMatrix_MagmaDenseBlock()
357 Amat->content = NULL; in SUNMatDestroy_MagmaDense()
361 if (Amat->ops) in SUNMatDestroy_MagmaDense()
363 free(Amat->ops); in SUNMatDestroy_MagmaDense()
364 Amat->ops = NULL; in SUNMatDestroy_MagmaDense()
368 free(Amat); in SUNMatDestroy_MagmaDense()
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/dports/math/lis/lis-2.0.30/src/matrix/
H A Dlis_matrix.c343 if( Amat->ptr ) lis_free( Amat->ptr ); in lis_matrix_LU_destroy()
344 if( Amat->row ) lis_free( Amat->row ); in lis_matrix_LU_destroy()
345 if( Amat->col ) lis_free( Amat->col ); in lis_matrix_LU_destroy()
346 if( Amat->index) lis_free( Amat->index ); in lis_matrix_LU_destroy()
347 if( Amat->bptr ) lis_free( Amat->bptr ); in lis_matrix_LU_destroy()
350 if( Amat->work ) lis_free( Amat->work ); in lis_matrix_LU_destroy()
389 if( Amat->ptr ) lis_free( Amat->ptr ); in lis_matrix_storage_destroy()
390 if( Amat->row ) lis_free( Amat->row ); in lis_matrix_storage_destroy()
391 if( Amat->col ) lis_free( Amat->col ); in lis_matrix_storage_destroy()
393 if( Amat->bptr ) lis_free( Amat->bptr ); in lis_matrix_storage_destroy()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/
H A Dxc_eval_fnl.F77 double precision Amat(*), Cmat(*)
104 call dcopy(ipol*nq, 0.0d0, 0, Amat, 1)
237 & Amat, nq, ipol, Ex, qwght,
381 & Amat, nq, ipol, Ec, qwght,
397 & rho, Amat, nq, ipol, Ec,
477 & rho, Amat, nq, ipol, Ec,
831 Amat(1:nq) = Amat(1:nq) -
834 Amat(nq+1:2*nq) = Amat(nq+1:2*nq) -
838 Amat(1:nq) = Amat(1:nq) - delta_ac
839 if (ipol.eq.2) Amat(nq+1:2*nq) = Amat(nq+1:2*nq) - delta_ac
[all …]
H A Dxc_att_xc.F5 Subroutine xc_att_xc(rho,ipol,Ex,Amat,Cmat) argument
18 double precision rho, Ex, Amat, Cmat
88 f10 = Amat/(2d0*Ex) -1d0/rho
93 f20 = Amat2/(2d0*Ex) - Amat*Amat/(2d0*Ex*Ex)
95 f11 = Cmat2 - Amat*Cmat/Ex
121 2 + Amat*Amat*Amat/(Ex*Ex*Ex)
125 1 - Cmat2*Amat/(Ex*Ex)
127 3 + Amat*Amat*Cmat/(Ex*Ex*Ex)
131 2 - Amat*Cmat3/(2.0d0*Ex*Ex)
132 3 + Amat*Cmat*Cmat/(Ex*Ex*Ex)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/
H A Dxc_eval_fnl.F77 double precision Amat(*), Cmat(*)
106 call dcopy(ipol*nq, 0.0d0, 0, Amat, 1)
241 & Amat, nq, ipol, Ex, qwght,
410 & Amat, nq, ipol, Ec, qwght,
426 & rho, Amat, nq, ipol, Ec,
506 & rho, Amat, nq, ipol, Ec,
860 Amat(1:nq) = Amat(1:nq) -
863 Amat(nq+1:2*nq) = Amat(nq+1:2*nq) -
867 Amat(1:nq) = Amat(1:nq) - delta_ac
868 if (ipol.eq.2) Amat(nq+1:2*nq) = Amat(nq+1:2*nq) - delta_ac
[all …]
H A Dxc_att_xc.F5 Subroutine xc_att_xc(rho,ipol,Ex,Amat,Cmat) argument
18 double precision rho, Ex, Amat, Cmat
87 f10 = Amat/(2d0*Ex) -1d0/rho
92 f20 = Amat2/(2d0*Ex) - Amat*Amat/(2d0*Ex*Ex)
94 f11 = Cmat2 - Amat*Cmat/Ex
120 2 + Amat*Amat*Amat/(Ex*Ex*Ex)
124 1 - Cmat2*Amat/(Ex*Ex)
126 3 + Amat*Amat*Cmat/(Ex*Ex*Ex)
130 2 - Amat*Cmat3/(2.0d0*Ex*Ex)
131 3 + Amat*Cmat*Cmat/(Ex*Ex*Ex)
[all …]
H A Dxc_oep.F27 Subroutine part_rho_rel(tol_rho, nq, Amat, Cmat, rho, vect1, argument
33 & Amat(nq,ipol), vect1(nq), Cmat(nq,3,ipol),
60 Amat(n,1) = Amat(n,1)*relation + compx + compy + compz
61 Amat(n,2) = Amat(n,2)*relation
72 Subroutine total_Amat( nq, ipol, Amat, Amat_coul, qwght) argument
75 double precision Amat(nq,ipol), Amat_coul(nq), qwght(nq) local
77 Amat(n,1) = Amat(n,1) - Amat_coul(n)*qwght(n)
78 Amat(n,2) = qwght(n)
H A Dxc_cs00.F5 & Amat, nq, ipol, delta, e_homo)
26 double precision Amat(nq,ipol)
78 p1 = Amat(n,1) + rho13*g*(1d0-fac)
79 p2 = Amat(n,1) - shift
80 Amat(n,1) = max(p1, p2)
108 p1 = Amat(n,1) + rho13*g*(1d0-fac)
109 p2 = Amat(n,1) - shift
110 Amat(n,1) = max(p1, p2)
132 p1 = Amat(n,2) + rho13*g*(1d0-fac)
133 p2 = Amat(n,2) - shift
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/dports/finance/R-cran-vars/vars/R/
H A DSVAR.R15 Amat <- diag(x$K)
24 diag(Amat) <- 1
38 params.A <- sum(is.na(Amat))
111 Amat <- Amat
129 ra <- c(Amat)
146 ra <- c(Amat)
223 rownames(Amat) <- colnames(Amat)
234 if(any(diag(Amat) < 0)){
236 Amat[, ind] <- -1 * Amat[, ind]
252 Amat[, ind] <- -1 * Amat[, ind]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/
H A Dnwxcm_x_dirac.F37 +rho,fnc,Amat)
72 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
81 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
83 Amat(iq,D1_RB) = Amat(iq,D1_RB)-1.2407009817987999d+0*rhob**
88 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
93 Amat(iq,D1_RB) = Amat(iq,D1_RB)-1.2407009817987999d+0*rhob**
165 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
177 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
179 Amat(iq,D1_RB) = Amat(iq,D1_RB)-1.2407009817987999d+0*rhob**
189 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/
H A Dnwxcm_x_dirac.F37 +rho,fnc,Amat)
72 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
81 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
83 Amat(iq,D1_RB) = Amat(iq,D1_RB)-1.2407009817987999d+0*rhob**
88 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
93 Amat(iq,D1_RB) = Amat(iq,D1_RB)-1.2407009817987999d+0*rhob**
165 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
177 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
179 Amat(iq,D1_RB) = Amat(iq,D1_RB)-1.2407009817987999d+0*rhob**
189 Amat(iq,D1_RA) = Amat(iq,D1_RA)-1.2407009817987999d+0*rhoa**
[all …]
/dports/math/R-cran-quadprog/quadprog/tests/
H A Dtest1.R3 FullAmat <- function(Dmat, Amat, Aind){ argument
4 res <- matrix(0, nrow=NROW(Dmat), ncol=NCOL(Amat))
8 res[ii[ind,]] <- as.vector(Amat)[ind]
18 Amat <- c(-4,2,-2) vector
19 Amat <- rbind(Amat,c(-3,1,1)) globalVar
21 res<-solve.QP.compact(Dmat,dvec,Amat,Aind,bvec=bvec)
30 Amat <- FullAmat(Dmat, Amat, Aind) globalVar
31 print(all(crossprod(Amat, res$solution) >= bvec))
35 Amat <- c(1,1,1) vector
36 Amat <- rbind(Amat,Amat) globalVar
[all …]
H A Dtest1.Rout.save20 > FullAmat <- function(Dmat, Amat, Aind){
21 + res <- matrix(0, nrow=NROW(Dmat), ncol=NCOL(Amat))
25 + res[ii[ind,]] <- as.vector(Amat)[ind]
35 > Amat <- c(-4,2,-2)
36 > Amat <- rbind(Amat,c(-3,1,1))
90 > Amat <- FullAmat(Dmat, Amat, Aind)
91 > print(all(crossprod(Amat, res$solution) >= bvec))
96 > Amat <- c(1,1,1)
97 > Amat <- rbind(Amat,Amat)
154 > Amat <- FullAmat(Dmat, Amat, Aind)
[all …]
/dports/math/R-cran-linprog/linprog/tests/
H A Dlinprog_tests.R9 Amat <- rbind( c( 0.7, 0.35, 0 ), globalVar
12 result1a <- solveLP( cvec, bvec, Amat, TRUE, verbose = 1 )
24 result1b <- solveLP( cvec, bvec, Amat, TRUE, verbose = 4 )
49 result1dD <- solveLP( cvec, -bvec, -Amat, TRUE, verbose = 1,
60 result1eD <- solveLP( cvec, -bvec, -Amat, TRUE, verbose = 1,
72 Amat <- rbind( c(-1.6,-2.4 ), globalVar
75 result2a <- solveLP( cvec, bvec, Amat, verbose = 1 )
87 result2b <- solveLP( cvec, bvec, Amat, verbose = 4 )
108 result2d <- solveLP( cvec, abs( bvec ), abs( Amat ), verbose = 1,
113 result2dD <- solveLP( cvec, abs( bvec ), abs( Amat ), verbose = 1,
[all …]
H A DMpsTests.R13 Amat <- rbind( c( 0.7, 0.35, 0 ), globalVar
18 result1a <- solveLP( cvec, bvec, Amat, TRUE )
22 writeMps( mpsFile, cvec, bvec, Amat, "Steinhauser" )
31 writeMps( mpsFile, cvec, bvec, Amat, "Steinhauser" )
34 rm( cvec, bvec, Amat )
55 Amat <- rbind( c( -1.6, -2.4 ), globalVar
60 result2a <- solveLP( cvec, bvec, Amat )
64 writeMps( mpsFile, cvec, bvec, Amat, "Steinhauser" )
73 writeMps( mpsFile, cvec, bvec, Amat, "Steinhauser" )
76 rm( cvec, bvec, Amat )
/dports/math/R-cran-linprog/linprog/R/
H A DreadMps.R55 Amat <- matrix(0, length(bvec), 0 ) functionVar
56 rownames(Amat) <- names(bvec)
61 if( !(temp[1] %in% colnames(Amat) ) ) {
63 Amat <- cbind( Amat, rep( 0, nrow(Amat) ) )
65 colnames(Amat)[ncol(Amat)] <- temp[1]
107 Amat <- rbind( Amat, rep( 0, ncol(Amat) ) )
108 Amat[ nrow(Amat), temp[3] ] <- 1
111 rownames( Amat )[nrow(Amat)] <- paste(temp[1], temp[3], sep="" )
133 Amat[ j, ] <- - Amat[ j, ]
139 res <- solveLP(cvec,bvec,Amat,maximum)
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/dports/science/hypre/hypre-2.23.0/src/FEI_mv/fei-hypre/
H A DHYPRE_LSI_mlmaxwell.c115 HYPRE_ML_Matrix *Amat; in ML_ExchBdry()
121 Amat = (HYPRE_ML_Matrix *) context->Amat; in ML_ExchBdry()
186 Amat = (HYPRE_ML_Matrix*) context->Amat; in ML_MatVec()
187 nRows = Amat->Nrows; in ML_MatVec()
192 for (i = 0; i < Amat->recvProcCnt; i++) length += Amat->recvLeng[i]; in ML_MatVec()
238 Amat = (HYPRE_ML_Matrix*) context->Amat; in ML_GetRow()
239 nRows = Amat->Nrows; in ML_GetRow()
321 HYPRE_ML_Matrix *Amat; in HYPRE_LSI_MLMaxwellDestroy() local
331 Amat = (HYPRE_ML_Matrix *) link->Aee_contxt->Amat; in HYPRE_LSI_MLMaxwellDestroy()
349 Amat = (HYPRE_ML_Matrix *) link->Ann_contxt->Amat; in HYPRE_LSI_MLMaxwellDestroy()
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_c_b97.F93 Amat(i,D1_RA) = Amat(i,D1_RA) + FC(_FXC_RA)*wght
106 Amat(i,D1_RA) = Amat(i,D1_RA) + FC(_FXC_RA)*wght
107 Amat(i,D1_RB) = Amat(i,D1_RB) + FC(_FXC_RB)*wght
180 Amat(i,D1_RA) = Amat(i,D1_RA) + FC(_FXC_RA)*wght
203 Amat(i,D1_RA) = Amat(i,D1_RA) + FC(_FXC_RA)*wght
204 Amat(i,D1_RB) = Amat(i,D1_RB) + FC(_FXC_RB)*wght
239 double precision Amat(2)
245 Amat(D1_RA) = 0.0d0
246 Amat(D1_RB) = 0.0d0
254 FCLDA(_FXC_RA) = Amat(D1_RA)
[all …]
H A Dnwpwxc_x_b97.F33 & func,Amat,Cmat)
67 double precision Amat(nq,*) !< [Output] The derivative wrt rho
88 Amat(i,D1_RA) = Amat(i,D1_RA) + FX(_FXC_RA)*wght
101 Amat(i,D1_RA) = Amat(i,D1_RA) + FX(_FXC_RA)*wght
102 Amat(i,D1_RB) = Amat(i,D1_RB) + FX(_FXC_RB)*wght
112 & func,Amat,Amat2,Cmat,Cmat2)
146 double precision Amat(nq,*) !< [Output] The derivative wrt rho
170 Amat(i,D1_RA) = Amat(i,D1_RA) + FX(_FXC_RA)*wght
189 Amat(i,D1_RA) = Amat(i,D1_RA) + FX(_FXC_RA)*wght
190 Amat(i,D1_RB) = Amat(i,D1_RB) + FX(_FXC_RB)*wght
H A Dnwpwxc_cs00.F32 & rgamma, func, Amat, Cmat)
59 double precision Amat(nq,*) !< [Output] The derivative wrt rho
115 p1 = Amat(n,R_A) + rho13*g*(1d0-wght)
116 p2 = Amat(n,R_A) - shift
117 Amat(n,R_A) = max(p1, p2)
146 p1 = Amat(n,R_A) + rho13*g*(1d0-wght)
147 p2 = Amat(n,R_A) - shift
148 Amat(n,R_A) = max(p1, p2)
171 p1 = Amat(n,R_B) + rho13*g*(1d0-wght)
172 p2 = Amat(n,R_B) - shift
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_c_b97.F93 Amat(i,D1_RA) = Amat(i,D1_RA) + FC(_FXC_RA)*wght
106 Amat(i,D1_RA) = Amat(i,D1_RA) + FC(_FXC_RA)*wght
107 Amat(i,D1_RB) = Amat(i,D1_RB) + FC(_FXC_RB)*wght
180 Amat(i,D1_RA) = Amat(i,D1_RA) + FC(_FXC_RA)*wght
203 Amat(i,D1_RA) = Amat(i,D1_RA) + FC(_FXC_RA)*wght
204 Amat(i,D1_RB) = Amat(i,D1_RB) + FC(_FXC_RB)*wght
239 double precision Amat(2)
245 Amat(D1_RA) = 0.0d0
246 Amat(D1_RB) = 0.0d0
254 FCLDA(_FXC_RA) = Amat(D1_RA)
[all …]
H A Dnwpwxc_x_b97.F33 & func,Amat,Cmat)
67 double precision Amat(nq,*) !< [Output] The derivative wrt rho
88 Amat(i,D1_RA) = Amat(i,D1_RA) + FX(_FXC_RA)*wght
101 Amat(i,D1_RA) = Amat(i,D1_RA) + FX(_FXC_RA)*wght
102 Amat(i,D1_RB) = Amat(i,D1_RB) + FX(_FXC_RB)*wght
112 & func,Amat,Amat2,Cmat,Cmat2)
146 double precision Amat(nq,*) !< [Output] The derivative wrt rho
170 Amat(i,D1_RA) = Amat(i,D1_RA) + FX(_FXC_RA)*wght
189 Amat(i,D1_RA) = Amat(i,D1_RA) + FX(_FXC_RA)*wght
190 Amat(i,D1_RB) = Amat(i,D1_RB) + FX(_FXC_RB)*wght
H A Dnwpwxc_cs00.F32 & rgamma, func, Amat, Cmat)
59 double precision Amat(nq,*) !< [Output] The derivative wrt rho
115 p1 = Amat(n,R_A) + rho13*g*(1d0-wght)
116 p2 = Amat(n,R_A) - shift
117 Amat(n,R_A) = max(p1, p2)
146 p1 = Amat(n,R_A) + rho13*g*(1d0-wght)
147 p2 = Amat(n,R_A) - shift
148 Amat(n,R_A) = max(p1, p2)
171 p1 = Amat(n,R_B) + rho13*g*(1d0-wght)
172 p2 = Amat(n,R_B) - shift
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/
H A Dnwxc_cs00.F32 & rgamma, func, Amat, Cmat) argument
59 double precision Amat(nq,*) !< [Output] The derivative wrt rho local
115 p1 = Amat(n,R_A) + rho13*g*(1d0-wght)
116 p2 = Amat(n,R_A) - shift
117 Amat(n,R_A) = max(p1, p2)
146 p1 = Amat(n,R_A) + rho13*g*(1d0-wght)
147 p2 = Amat(n,R_A) - shift
148 Amat(n,R_A) = max(p1, p2)
171 p1 = Amat(n,R_B) + rho13*g*(1d0-wght)
172 p2 = Amat(n,R_B) - shift
[all …]

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